REAL300018706544.mol2 40                                                        
   1       O    -0.72   -48.22    16.33      19.03       0.31   -47.91     16
   2       C     0.51    31.47     7.08      71.24       0.50    31.98     16
   3       O    -0.73   -50.84    17.19      19.05       0.33   -50.51     16
   4       C    -0.20    -8.79     2.49     -53.67      -0.13    -8.93     16
   5       C     0.01     0.26     5.28     -19.84      -0.10     0.16     16
   6       C    -0.09    -3.37     8.73      22.25       0.19    -3.17     16
   7       C    -0.13    -3.59     9.90      22.40       0.22    -3.37     16
   8       C     0.20     4.54     6.65      38.21       0.25     4.79     16
   9       N    -0.52    -9.53     4.93    -343.12      -1.69   -11.22     16
  10       C     0.14     1.96     4.08      85.63       0.35     2.31     16
  11       C    -0.12    -1.64     5.28     -19.65      -0.10    -1.74     16
  12       C    -0.04     0.01     9.66      22.24       0.21     0.22     16
  13       C    -0.09     0.24    10.04      22.33       0.22     0.47     16
  14       C    -0.04    -0.18    10.03      22.24       0.22     0.04     16
  15       C    -0.14    -2.93     9.75      22.48       0.22    -2.71     16
  16       C     0.31     8.68     9.76      22.82       0.22     8.91     16
  17       O    -0.87   -43.89    13.34    -127.47      -1.70   -45.59     16
  18       O    -1.03   -67.62    17.25    -127.47      -2.20   -69.82     16
  19       C    -0.11    -2.38     9.31      22.40       0.21    -2.17     16
  20       C    -0.10    -2.49     9.38      22.25       0.21    -2.28     16
  21       C    -0.14    -5.13     9.75      30.62       0.30    -4.83     16
  22       C    -0.13    -4.46     9.57      30.62       0.29    -4.17     16
  23       H     0.10     4.67     7.08      -2.91      -0.02     4.65     16
  24       H     0.16     3.60     8.06      -2.91      -0.02     3.58     16
  25       H     0.42     7.04     8.48     -92.71      -0.79     6.26     16
  26       H     0.12     2.91     5.61      -2.39      -0.01     2.90     16
  27       H     0.18     0.32     7.80      -2.39      -0.02     0.30     16
  28       H     0.22    -2.16     8.03      -2.91      -0.02    -2.18     16
  29       H     0.21    -2.58     8.06      -2.91      -0.02    -2.61     16
  30       H     0.20    -0.67     8.06      -2.91      -0.02    -0.69     16
  31       H     0.14     3.88     7.77      -2.90      -0.02     3.85     16
  32       H     0.27    15.35     8.90     -74.06      -0.66    14.69     16
  33       H     0.25    17.11     8.90     -74.06      -0.66    16.45     16
  34       H     0.18     2.29     6.73      -2.91      -0.02     2.27     16
  35       H     0.17     3.25     5.91      -2.91      -0.02     3.24     16
  36       H     0.12     3.76     8.14      -2.38      -0.02     3.74     16
  37       H     0.08     3.55     7.69      -2.39      -0.02     3.53     16
  38       H     0.08     3.15     8.14      -2.39      -0.02     3.13     16
  39       H     0.14     3.40     6.07      -2.39      -0.01     3.39     16
 Total:         -1.00  -139.02   335.24                 -4.04  -143.06